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Table 4 Tenfold cross validation of three kinds of algorithms for Kd feature subset

From: Quantitative prediction model for affinity of drug–target interactions based on molecular vibrations and overall system of ligand-receptor

Model (Kd) R2 MSE RMSE MAE SSE
Train Test Train Test Train Test Train Test Train Test
SVM 0.9099 0.5083 0.1254 0.7290 0.3541 0.8538 0.2116 0.6406 1230 808.4
RF 0.9425 0.9485 0.1208 0.1191 0.3476 0.3451 0.2640 0.2594 1204 132.1
ANN 0.5857 0.2961 0.5612 1.0190 0.7491 1.0095 0.5792 0.7390 5593 1130